0 mol 8 unq 0 iso 0 dist 8.6405 12.7577 7.77271 5.86575 6.26865 7.0822 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 6.72467 5.84422 9.75011 10.0379 8.55901 15.4758 numMergedOcc 0
2 mol 99 unq 0 iso 0 dist 9.46619 8.61334 8.86001 7.35957 6.6925 11.6733 numMergedOcc 0
3 mol 99 unq 1 iso 0 dist 9.46619 8.61334 8.86001 8.5606 7.12746 7.52543 numMergedOcc 0
4 mol 99 unq 2 iso 0 dist 9.46619 12.2155 9.36749 7.35957 6.6925 12.7528 numMergedOcc 0
5 mol 99 unq 3 iso 0 dist 9.46619 12.2155 9.36749 8.5606 7.12746 6.93979 numMergedOcc 0
6 mol 140 unq 0 iso 0 dist 5.40251 7.32877 6.29125 7.15311 5.63811 5.35291 numMergedOcc 0
7 mol 173 unq 0 iso 0 dist 7.33162 11.9303 9.13913 14.5546 9.79554 5.21474 numMergedOcc 0
8 mol 224 unq 0 iso 0 dist 8.76325 10.8164 9.97425 6.78713 8.89778 4.92261 numMergedOcc 0
9 mol 224 unq 1 iso 0 dist 8.76325 8.8161 8.39753 6.78713 8.89778 6.78064 numMergedOcc 0
10 mol 224 unq 2 iso 0 dist 8.85101 8.30109 9.97425 7.09867 8.89778 4.92261 numMergedOcc 0
11 mol 224 unq 3 iso 0 dist 8.85101 3.92881 8.39753 7.09867 8.89778 6.78064 numMergedOcc 0
12 mol 228 unq 0 iso 0 dist 9.91303 3.61254 7.39392 12.6531 7.46689 11.5853 numMergedOcc 0
13 mol 228 unq 1 iso 0 dist 4.55699 7.41837 7.39392 6.24124 7.46689 11.5853 numMergedOcc 0
14 mol 228 unq 2 iso 0 dist 8.10816 14.6257 8.04854 6.24124 8.37287 13.7194 numMergedOcc 0
15 mol 228 unq 3 iso 0 dist 7.81837 6.25558 8.04854 14.7313 8.37287 13.7194 numMergedOcc 0
16 mol 228 unq 4 iso 0 dist 7.95486 14.736 8.08612 6.22795 8.07174 13.6087 numMergedOcc 0
17 mol 228 unq 5 iso 0 dist 4.42593 7.17017 7.56863 6.22795 7.09766 11.4416 numMergedOcc 0
18 mol 228 unq 6 iso 0 dist 7.97746 6.31197 8.08612 14.3906 8.07174 13.6087 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 4.57548 10.1043 9.10967 7.57139 7.25543 7.1782 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 4.57548 5.97305 7.83632 7.57139 7.25543 5.88198 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 9.44826 14.9747 9.418 12.0966 8.76313 7.0716 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 9.44826 14.9747 9.418 5.92281 7.4363 10.5554 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 9.44826 6.25578 8.10823 12.0966 8.76313 8.79231 numMergedOcc 0
24 mol 259 unq 3 iso 0 dist 9.44826 6.25578 8.10823 5.92281 7.4363 4.95598 numMergedOcc 0
25 mol 294 unq 0 iso 0 dist 8.05845 10.658 9.17225 5.49132 7.72845 10.7347 numMergedOcc 0
26 mol 294 unq 1 iso 0 dist 8.73893 17.576 9.17225 10.5548 7.72845 10.7347 numMergedOcc 0
